Crystallography Open Database

Information card for entry 7250487

Preview

Coordinates	7250487.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Fe3 H2 Na0.69 O12 P3
Calculated formula	Fe3 H2 Na0.686 O12 P3
Title of publication	Unraveling the Transition from Alluaudite to Triphylite Phases during LiFePO4 Hydrothermal Synthesis
Authors of publication	Kurashkina, Anna A.; Alekseeva, Anastasia M.; Soboleva, Iana; Sobolev, Alexey V.; Mironov, Andrey V.; Marikutsa, Artem V.; Mikheev, Ivan V.; Shatalova, Tatiana; Presniakov, Igor A.; Drozhzhin, Oleg A.; Antipov, Evgeny
Journal of publication	CrystEngComm
Year of publication	2025
a	11.9917 ± 0.0008 Å
b	12.308 ± 0.0009 Å
c	6.4995 ± 0.0004 Å
α	90°
β	114.554 ± 0.002°
γ	90°
Cell volume	872.54 ± 0.1 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0289
Residual factor for significantly intense reflections	0.0285
Weighted residual factors for all reflections	0.0385
Weighted residual factors for significantly intense reflections	0.038
Goodness-of-fit parameter for all reflections	1.2
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.789 Å
Diffraction radiation type	CoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
299882 (current)	2025-05-31	cif/ Adding structures of 7250487 via cif-deposit CGI script.	7250487.cif